6-benzylidene-N,N-dichlorocyclohexa-2,4-dien-1-amine

C13H11Cl2N — CID 140966794

IUPAC6-benzylidene-N,N-dichlorocyclohexa-2,4-dien-1-amine
SMILESClN(Cl)C1C=CC=CC1=Cc1ccccc1
InChIInChI=1S/C13H11Cl2N/c14-16(15)13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-10,13H
InChIKeyNLXPZMMCECHTSJ-UHFFFAOYSA-N
MW252.14 g/mol
LogP4.17
Rot. Bonds2

About 6-benzylidene-N,N-dichlorocyclohexa-2,4-dien-1-amine

6-benzylidene-N,N-dichlorocyclohexa-2,4-dien-1-amine (PubChem CID 140966794) has the molecular formula C13H11Cl2N and a molecular weight of 252.14 g/mol. Its IUPAC name is 6-benzylidene-N,N-dichlorocyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name6-benzylidene-N,N-dichlorocyclohexa-2,4-dien-1-amine
PubChem CID140966794
Molecular FormulaC13H11Cl2N
Molecular Weight252.14 g/mol
Exact Mass251.03
IUPAC Name6-benzylidene-N,N-dichlorocyclohexa-2,4-dien-1-amine
SMILESClN(Cl)C1C=CC=CC1=Cc1ccccc1
InChIInChI=1S/C13H11Cl2N/c14-16(15)13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-10,13H
InChIKeyNLXPZMMCECHTSJ-UHFFFAOYSA-N
XLogP4.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.14
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

1-(6-benzylidenecyclohexa-2,4-dien-1-yl)-3-phenylprop-2-en-1-one;palladium
CID 175249285
cyclohexa-2,4-dien-1-ylidenemethylbenzene
CID 54483415
5-benzylidene-1,6-bis(ethenyl)cyclohexa-1,3-diene
CID 174289399
N-cyclohexyl-6-(2-phenylethenyl)cyclohexa-2,4-dien-1-imine
CID 140968860
2,4-dibenzylidene-1,3-dithietane
CID 101088005
2-(2-phenylethenyl)pyrrolidine
CID 3705120
[6-(chloromethylidene)cyclohexa-2,4-dien-1-yl]-phenylmethanone
CID 154101904
(4-benzylidenecyclohexa-2,5-dien-1-ylidene)oxidanium
CID 59057581
N-(3-chloropropyl)-6-(2-phenylethenyl)cyclohexa-2,4-dien-1-imine
CID 70264914
5-chloro-1-(6-diphenylphosphanylcyclohexa-2,4-dien-1-ylidene)pentan-2-one
CID 70568716
(2S,6R)-2-(2-phenylethenyl)-6-[(E)-2-phenylethenyl]piperidine
CID 69201329
CID 70569152
CID 70569152

Frequently Asked Questions

What is the IUPAC name of 6-benzylidene-N,N-dichlorocyclohexa-2,4-dien-1-amine?
The IUPAC name of 6-benzylidene-N,N-dichlorocyclohexa-2,4-dien-1-amine (CID 140966794) is 6-benzylidene-N,N-dichlorocyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 6-benzylidene-N,N-dichlorocyclohexa-2,4-dien-1-amine?
The canonical SMILES for 6-benzylidene-N,N-dichlorocyclohexa-2,4-dien-1-amine is ClN(Cl)C1C=CC=CC1=Cc1ccccc1.
What is the InChIKey of 6-benzylidene-N,N-dichlorocyclohexa-2,4-dien-1-amine?
The InChIKey is NLXPZMMCECHTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N/c14-16(15)13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-10,13H.
What are the key properties of 6-benzylidene-N,N-dichlorocyclohexa-2,4-dien-1-amine?
6-benzylidene-N,N-dichlorocyclohexa-2,4-dien-1-amine has a molecular weight of 252.14 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzylidene-N,N-dichlorocyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 140966794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).